Geometry & MOs

Info

ID:

406240

PubChem CID:

135076989

Reduced:

N4O4C17H24 (1)

Stoich.:

A4B4C17D24 (1)

Weight, g/mol:

476.313789

ΔHf, kcal/mol:

-103.97

Dipole, Da:

8.64

IP(EA), eV:

 -8.56(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[(3R,5R,8R,14S)-3-(3-carboxypropanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(=O)OC(C(CC(C)C)N=[N+]=[N-])C(=O)NC1=CC=C(C=C1)OC

DOS

IR

Vibrations